SCHEMBL44717

SCHEMBL44717

Oc1nc(-c2cccc(-c3cn4ccccc4n3)c2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.58
GFER P55789 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 1/20 0.58
MIF P14174 1/20 0.58
KDM4E B2RXH2 12/20 0.53
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
POLB P06746 4/20 0.53
LMNA P02545 2/20 0.53
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ALDH1A1 P00352 9/20 0.52
BACE1 P56817 1/20 0.52
BACE2 Q9Y5Z0 1/20 0.52
HPGD P15428 4/20 0.50
PKM P14618 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL44509 0.86 L3MBTL1 (0.60) RAB9AGFERKMT2AMEN1GAA
SCHEMBL43747 0.85 NOTUM (0.53) RAB9AGFERKMT2AMEN1GAA
SCHEMBL44466 0.83 BACE1 (0.48) RAB9AGFERKMT2AMEN1GAA
SCHEMBL25789107 0.81 KDM4E (0.60) RAB9AGFERKMT2AMEN1GAA
SCHEMBL44657 0.80 KDM4E (0.52) RAB9AGFERKMT2AMEN1GAA
SCHEMBL25789344 0.80 KDM4E (0.58) RAB9AGFERKMT2AMEN1GAA
SCHEMBL25789161 0.80 KDM4E (0.58) RAB9AGFERKMT2AMEN1GAA
SCHEMBL25789123 0.79 RAB9A (0.59) RAB9AGFERKMT2AMEN1GAA
SCHEMBL13131131 0.77 RAB9A (0.69) RAB9AGFERKMT2AMEN1GAA
SCHEMBL25789342 0.76 KDM4E (0.55) RAB9AGFERKMT2AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed